SCHEMBL22711347

SCHEMBL22711347

O=C(NF)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 1/20 0.69
THRB P10828 1/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
ROCK2 O75116 1/20 0.61
ROCK1 Q13464 1/20 0.61
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5361880 0.83 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.83 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
Nicoxamat SCHEMBL93839 0.82 HDAC1 (1.00) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL1134989 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL8162429 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL8704315 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
Nicotinic Acid Hydrazide SCHEMBL258390 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL3821696 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL6246677 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL10896904 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655268-B2 Nucleoside or nucleotide derivatives, and uses thereof ST PHARM CO., LTD. (KR) 2023-05-23 US claimed
US-20210040135-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST PHARM CO., LTD. (KR) 2021-02-11 US claimed
EP-3744726-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST Pharm Co., Ltd. (KR) 2020-12-02 EP claimed
US-11655268-B2 Nucleoside or nucleotide derivatives, and uses thereof ST PHARM CO., LTD. (KR) 2023-05-23 US disclosed
US-20210040135-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST PHARM CO., LTD. (KR) 2021-02-11 US disclosed
EP-3744726-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST Pharm Co., Ltd. (KR) 2020-12-02 EP disclosed
CN-101888999-B Pyridylmethyl-sulfonamide compounds BASF SE 2013-12-11 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210040135-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF PNP, SLC28A1, NT5C3B HDAC1 3018/4885HDAC6 2244/4885THRB 4152/4885
US-11655268-B2 Nucleoside or nucleotide derivatives, and uses thereof PNP, SLC28A1, NT5C3B HDAC1 2854/4885HDAC6 2440/4885THRB 4171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.